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9 Open 136 Closed
9 Open 136 Closed
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Issues list

RMSD reference containing protein and ligand
#376 opened Dec 11, 2024 by bcossins
12
[BUG?] Incompatible AMBER atom names for protein cap residues bug Something isn't working
#365 opened Nov 1, 2024 by jmichel80
4
[BUG] MIssing Windows Python 3.10 package for 2024.3.0 release bug Something isn't working
#358 opened Oct 24, 2024 by lohedges
What about ff99-disp
#346 opened Sep 29, 2024 by bcossins
6
Prepare systems with multiple ligands
#326 opened Aug 5, 2024 by cespos
9
Support for openff-bespokefit enhancement New feature or request
#262 opened Mar 13, 2024 by jmichel80
9
[BUG] Protein parametrization fails if detects a disulfide bridge between reduced cysteine residues (CYS and not CYX) bug Something isn't working
#142 opened Jul 20, 2023 by cespos
2
Matching atoms and merging ring systems (fused rings, different hybridisation states) - issues enhancement New feature or request
#103 opened Jun 15, 2023 by annamherz
8
Faster MCS Calculation enhancement New feature or request
#6 opened Feb 14, 2023 by kexul
@lohedges
7
ProTip! Adding no:label will show everything without a label.